#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jws s THR 2 N 0.00 -0.00 -0.48 1.09 -4.23 -1.26 -5.03 115.64 105.73 2jws s THR 2 Ca 0.00 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.75 2jws s THR 2 Cb 0.00 -0.63 0.32 0.00 1.34 0.00 0.00 72.50 73.53 2jws s THR 2 CO 0.00 0.00 1.62 0.22 -0.54 0.00 0.00 174.62 175.92 2jws h TYR 3 N 5.50 0.00 -4.38 3.99 5.03 -2.04 -3.48 116.97 121.59 2jws h TYR 3 Ca -0.28 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 60.91 2jws h TYR 3 Cb 1.18 0.00 0.10 0.00 1.55 0.00 0.00 36.73 39.56 2jws h TYR 3 CO 0.39 0.00 -0.44 1.17 -1.32 0.00 0.00 178.16 177.96 2jws n LYS 4 N -2.96 -1.22 -3.36 1.82 4.81 -1.26 -4.98 118.16 111.00 2jws n LYS 4 Ca 0.04 0.55 -0.42 0.00 -0.87 0.00 0.00 58.31 57.60 2jws n LYS 4 Cb 0.52 -3.95 -0.02 0.00 0.02 0.00 0.00 35.03 31.60 2jws n LYS 4 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2jws n LEU 5 N -2.38 5.31 -1.66 3.14 4.77 -1.26 -4.90 117.00 120.02 2jws n LEU 5 Ca -0.04 -5.09 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 2jws n LEU 5 Cb 0.56 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 2jws n LEU 5 CO 0.33 1.46 -0.35 -0.38 -1.33 0.00 0.00 177.39 177.13 2jws n ILE 6 N 2.36-10.47 -1.94 -0.08 5.41 -1.26 -4.96 119.36 108.41 2jws n ILE 6 Ca 0.24 2.50 0.00 0.00 1.00 0.00 0.00 62.75 66.49 2jws n ILE 6 Cb 0.38 -4.64 0.00 0.00 -0.71 0.00 0.00 39.64 34.67 2jws n ILE 6 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jws n LEU 7 N 1.38 -5.66 -2.69 1.39 7.99 -1.26 -5.05 117.00 113.11 2jws n LEU 7 Ca 0.00 2.71 -0.06 0.00 -0.01 0.00 0.00 56.01 58.65 2jws n LEU 7 Cb 0.00 -2.88 0.09 0.00 -0.11 0.00 0.00 43.42 40.52 2jws n LEU 7 CO 0.00 -1.81 0.56 -3.20 -1.51 0.00 0.00 177.39 171.42 2jws n ASN 8 N 1.62 -1.69 0.09 -1.43 5.15 -1.26 -4.96 115.26 112.77 2jws n ASN 8 Ca 0.00 -2.56 -0.09 0.00 -0.60 0.00 0.00 54.58 51.32 2jws n ASN 8 Cb 0.00 1.41 -0.04 0.00 -0.53 0.00 0.00 39.78 40.62 2jws n ASN 8 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 2jws h LEU 9 N 2.34 0.23 -1.27 1.20 8.10 -1.97 -2.68 115.31 121.26 2jws h LEU 9 Ca -0.26 -0.20 0.22 0.00 0.11 0.00 0.00 57.88 57.75 2jws h LEU 9 Cb 1.19 -0.07 -0.09 0.00 -0.44 0.00 0.00 40.66 41.24 2jws h LEU 9 CO 0.02 1.04 0.63 0.50 -4.11 0.00 0.00 178.44 176.51 2jws h LYS 10 N 0.08 0.52 0.00 0.17 3.64 -1.96 0.25 116.57 119.28 2jws h LYS 10 Ca -0.05 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.03 2jws h LYS 10 Cb 1.60 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.25 2jws h LYS 10 CO 0.14 0.35 -1.64 0.37 -2.27 0.00 0.00 179.45 176.40 2jws h GLN 11 N 0.54 0.00 -0.68 1.90 -0.00 -1.98 -2.69 115.11 112.20 2jws h GLN 11 Ca 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.16 2jws h GLN 11 Cb 1.18 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.63 2jws h GLN 11 CO -0.30 0.46 0.26 0.00 0.00 0.00 0.00 178.83 179.26 2jws h ALA 12 N 1.07 1.18 0.10 3.38 0.00 -0.56 -0.89 119.26 123.55 2jws h ALA 12 Ca -0.26 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.17 2jws h ALA 12 Cb 1.93 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2jws h ALA 12 CO 0.07 0.59 -1.59 1.57 0.00 0.00 0.00 179.25 179.89 2jws h LYS 13 N 0.98 0.21 -0.63 0.00 -0.00 -0.75 -2.57 116.57 113.81 2jws h LYS 13 Ca 0.23 -0.36 0.02 0.00 -0.00 0.00 0.00 60.65 60.54 2jws h LYS 13 Cb 0.20 0.13 -0.04 0.00 -0.00 0.00 0.00 32.23 32.53 2jws h LYS 13 CO -0.02 1.04 0.40 1.05 -0.00 0.00 0.00 179.45 181.92 2jws h GLU 14 N 0.06 0.77 -0.04 0.07 -0.00 -1.31 1.08 114.58 115.21 2jws h GLU 14 Ca -0.26 -0.05 -0.12 0.00 -0.00 0.00 0.00 59.36 58.93 2jws h GLU 14 Cb 2.01 -0.17 -0.01 0.00 -0.00 0.00 0.00 28.75 30.57 2jws h GLU 14 CO 0.14 0.51 -0.53 1.49 -0.00 0.00 0.00 179.01 180.62 2jws h GLU 15 N 0.79 0.10 -0.29 1.06 4.57 -1.28 -2.92 114.58 116.61 2jws h GLU 15 Ca 0.24 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 58.22 2jws h GLU 15 Cb -0.02 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 2jws h GLU 15 CO -0.08 0.61 -0.37 0.00 -1.18 0.00 0.00 179.01 177.98 2jws h ALA 16 N 1.38 0.43 -0.55 2.92 0.00 -0.58 -1.22 119.26 121.63 2jws h ALA 16 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jws h ALA 16 Cb 0.97 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2jws h ALA 16 CO 0.07 0.51 0.36 0.97 0.00 0.00 0.00 179.25 181.17 2jws h ILE 17 N 0.51 1.14 -0.09 0.00 6.09 0.12 0.22 117.51 125.51 2jws h ILE 17 Ca 0.03 -0.27 -0.13 0.00 -1.37 0.00 0.00 64.86 63.13 2jws h ILE 17 Cb 0.96 0.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 2jws h ILE 17 CO 0.09 0.14 -0.51 0.11 -3.07 0.00 0.00 178.15 174.91 2jws h LYS 18 N 0.75 0.23 0.21 2.19 1.79 -1.35 0.22 116.57 120.62 2jws h LYS 18 Ca 0.20 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2jws h LYS 18 Cb -0.08 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2jws h LYS 18 CO -0.04 0.69 -0.10 0.93 -1.08 0.00 0.00 179.45 179.84 2jws h GLU 19 N 0.18 -0.28 0.05 3.15 3.07 0.61 -0.36 114.58 121.01 2jws h GLU 19 Ca 0.01 0.02 -0.24 0.00 -0.50 0.00 0.00 59.36 58.64 2jws h GLU 19 Cb 0.96 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 2jws h GLU 19 CO 0.08 -0.06 -1.05 1.25 -1.40 0.00 0.00 179.01 177.83 2jws h LEU 20 N -0.46 0.46 -1.40 1.33 5.85 -1.03 0.10 115.31 120.17 2jws h LEU 20 Ca -0.03 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 2jws h LEU 20 Cb 0.35 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2jws h LEU 20 CO 0.05 1.25 -0.22 0.58 -0.34 0.00 0.00 178.44 179.76 2jws h VAL 21 N 0.16 1.20 0.04 1.05 2.07 -0.57 0.92 116.25 121.11 2jws h VAL 21 Ca -0.10 -0.91 -0.32 0.00 0.82 0.00 0.00 66.70 66.19 2jws h VAL 21 Cb 1.72 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 2jws h VAL 21 CO 0.18 0.27 -1.86 0.47 0.02 0.00 0.00 177.57 176.65 2jws n ASP 22 N -4.23 1.21 0.09 0.57 8.00 -0.15 -4.06 116.55 117.99 2jws n ASP 22 Ca -0.02 0.31 0.13 0.00 0.71 0.00 0.00 54.79 55.92 2jws n ASP 22 Cb 0.31 -0.24 0.29 0.00 -0.02 0.00 0.00 41.12 41.47 2jws n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jws n ALA 23 N -2.71 2.57 -2.21 2.24 0.00 0.35 -5.04 120.51 115.70 2jws n ALA 23 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2jws n ALA 23 Cb 1.06 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2jws n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jws n GLY 24 N 1.32 -4.41 1.49 0.00 0.00 0.32 -5.02 105.19 98.89 2jws n GLY 24 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.10 2jws n GLY 24 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jws n ILE 25 N 1.89 0.00 -1.51 -0.61 -5.35 -1.25 -5.03 119.36 107.50 2jws n ILE 25 Ca 0.00 -0.02 -0.29 0.00 -0.27 0.00 0.00 62.75 62.17 2jws n ILE 25 Cb 0.00 0.20 -0.17 0.00 -1.74 0.00 0.00 39.64 37.93 2jws n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jws n ALA 26 N -2.25 0.71 -0.02 -1.28 0.00 -1.26 -4.71 120.51 111.71 2jws n ALA 26 Ca -0.04 -0.69 0.24 0.00 0.00 0.00 0.00 53.44 52.95 2jws n ALA 26 Cb 0.21 -2.51 0.71 0.00 0.00 0.00 0.00 19.45 17.86 2jws n ALA 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2jws h GLU 27 N 12.29 0.00 -0.79 0.00 5.08 -1.98 -0.20 114.58 128.99 2jws h GLU 27 Ca -0.02 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.53 2jws h GLU 27 Cb 1.20 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2jws h GLU 27 CO 1.44 0.00 0.11 -0.22 -1.00 0.00 0.00 179.01 179.33 2jws h LYS 28 N 0.00 0.16 -0.19 2.33 1.63 -2.01 1.17 116.57 119.67 2jws h LYS 28 Ca 0.29 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 2jws h LYS 28 Cb 1.48 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.06 2jws h LYS 28 CO -0.00 0.11 0.01 1.88 -3.45 0.00 0.00 179.45 178.00 2jws h TYR 29 N 0.17 0.26 0.00 1.91 -1.99 -1.40 0.10 116.97 116.03 2jws h TYR 29 Ca 0.46 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.17 2jws h TYR 29 Cb 0.84 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.49 2jws h TYR 29 CO -0.34 0.27 -0.02 0.97 -0.00 0.00 0.00 178.16 179.04 2jws h ILE 30 N 0.27 0.64 0.01 -2.88 2.10 0.13 -1.00 117.51 116.78 2jws h ILE 30 Ca 0.06 -0.07 -0.24 0.00 1.08 0.00 0.00 64.86 65.69 2jws h ILE 30 Cb 0.16 1.05 0.01 0.00 -1.09 0.00 0.00 36.82 36.94 2jws h ILE 30 CO 0.00 0.02 -0.99 0.50 -1.08 0.00 0.00 178.15 176.60 2jws h LYS 31 N 0.00 0.46 -0.42 2.19 3.64 -0.26 0.90 116.57 123.07 2jws h LYS 31 Ca -0.00 -0.51 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2jws h LYS 31 Cb 0.04 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2jws h LYS 31 CO 0.00 1.16 0.28 -0.07 -2.27 0.00 0.00 179.45 178.55 2jws h LEU 32 N 0.25 0.46 0.05 5.20 3.38 -1.01 0.36 115.31 124.00 2jws h LEU 32 Ca -0.09 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.55 2jws h LEU 32 Cb 1.63 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 2jws h LEU 32 CO 0.18 0.33 -1.76 2.30 0.09 0.00 0.00 178.44 179.57 2jws n ILE 33 N -4.48 1.63 0.25 1.22 -5.35 -1.08 -3.36 119.36 108.18 2jws n ILE 33 Ca 0.04 -0.34 0.10 0.00 -0.27 0.00 0.00 62.75 62.27 2jws n ILE 33 Cb 0.08 -1.87 0.68 0.00 -1.74 0.00 0.00 39.64 36.79 2jws n ILE 33 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jws h ALA 34 N -0.30 1.97 0.00 -1.28 0.00 0.96 0.54 119.26 121.16 2jws h ALA 34 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jws h ALA 34 Cb 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2jws h ALA 34 CO -0.11 -0.04 -0.47 -1.71 0.00 0.00 0.00 179.25 176.92 2jws n ASN 35 N -4.44 0.56 0.00 0.00 5.15 0.13 -5.02 115.26 111.63 2jws n ASN 35 Ca -0.02 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2jws n ASN 35 Cb 0.12 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 2jws n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jws n ALA 36 N -1.68 0.00 0.00 5.20 0.00 0.18 -4.89 120.51 119.33 2jws n ALA 36 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2jws n ALA 36 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2jws n ALA 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jws n LYS 37 N 14.00 0.00 -3.66 0.00 4.81 -1.26 -4.78 118.16 127.27 2jws n LYS 37 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2jws n LYS 37 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 2jws n LYS 37 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2jws s THR 38 N -0.61 1.56 0.27 3.15 -4.23 -1.26 -4.99 115.64 109.54 2jws s THR 38 Ca 0.00 -3.24 -0.07 0.00 -1.18 0.00 0.00 61.69 57.20 2jws s THR 38 Cb 0.00 -2.05 0.40 0.00 1.34 0.00 0.00 72.50 72.19 2jws s THR 38 CO 0.00 -1.07 1.58 1.62 -0.54 0.00 0.00 174.62 176.21 2jws h VAL 39 N 4.69 0.09 -0.84 2.29 3.04 -1.97 1.14 116.25 124.69 2jws h VAL 39 Ca 0.16 -0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.88 2jws h VAL 39 Cb 0.85 0.08 -0.05 0.00 -2.01 0.00 0.00 31.29 30.16 2jws h VAL 39 CO 0.53 0.00 0.53 -0.33 -1.01 0.00 0.00 177.57 177.30 2jws h GLU 40 N 0.01 1.00 -0.10 4.17 5.08 -1.98 -2.53 114.58 120.22 2jws h GLU 40 Ca 0.47 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 2jws h GLU 40 Cb 0.79 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2jws h GLU 40 CO -0.92 0.66 -0.07 0.78 -1.00 0.00 0.00 179.01 178.46 2jws h GLY 41 N 1.03 0.25 -0.71 -3.84 0.00 0.53 -1.92 103.07 98.39 2jws h GLY 41 Ca 0.34 -0.24 0.35 0.00 0.00 0.00 0.00 47.33 47.78 2jws h GLY 41 CO -0.13 0.21 0.50 -2.08 0.00 0.00 0.00 176.54 175.04 2jws h VAL 42 N -0.15 0.18 0.06 4.60 2.07 0.83 2.50 116.25 126.33 2jws h VAL 42 Ca 0.02 -0.06 -0.24 0.00 0.82 0.00 0.00 66.70 67.24 2jws h VAL 42 Cb 0.55 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2jws h VAL 42 CO 0.02 0.03 -1.09 -0.25 0.02 0.00 0.00 177.57 176.30 2jws h TRP 43 N 0.18 0.29 0.01 1.57 2.91 -1.39 -2.83 115.95 116.70 2jws h TRP 43 Ca 0.75 -0.20 -0.01 0.00 1.13 0.00 0.00 58.89 60.56 2jws h TRP 43 Cb 1.81 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 30.44 2jws h TRP 43 CO -0.06 1.13 -0.06 1.15 -1.03 0.00 0.00 178.44 179.57 2jws h THR 44 N 0.06 1.77 -0.66 2.65 2.02 0.19 -2.64 112.91 116.30 2jws h THR 44 Ca -0.07 -2.34 0.08 0.00 0.77 0.00 0.00 66.41 64.85 2jws h THR 44 Cb 1.81 3.36 -0.04 0.00 -1.74 0.00 0.00 68.15 71.54 2jws h THR 44 CO 0.17 0.61 0.44 -0.07 0.37 0.00 0.00 175.52 177.03 2jws h LEU 45 N -0.95 0.51 0.57 2.58 4.07 0.36 0.59 115.31 123.04 2jws h LEU 45 Ca -0.01 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2jws h LEU 45 Cb 1.03 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 42.68 2jws h LEU 45 CO 0.01 0.32 -0.27 0.50 -1.08 0.00 0.00 178.44 177.91 2jws h LYS 46 N 0.57 -0.74 -0.39 1.13 3.64 -1.58 0.73 116.57 119.94 2jws h LYS 46 Ca 0.30 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.79 2jws h LYS 46 Cb 0.42 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2jws h LYS 46 CO -0.10 -0.49 0.26 -0.44 -2.27 0.00 0.00 179.45 176.41 2jws h ASP 47 N -1.19 0.24 0.07 4.20 5.19 -1.14 -0.91 116.42 122.88 2jws h ASP 47 Ca -0.08 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2jws h ASP 47 Cb 0.59 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.05 2jws h ASP 47 CO 0.13 0.16 -0.03 -0.08 -3.12 0.00 0.00 179.24 176.30 2jws h GLU 48 N 0.28 -0.09 -0.11 3.56 4.81 0.20 -2.67 114.58 120.56 2jws h GLU 48 Ca 0.17 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2jws h GLU 48 Cb 0.32 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2jws h GLU 48 CO -0.03 0.47 0.16 0.97 -0.73 0.00 0.00 179.01 179.84 2jws h ILE 49 N -0.90 0.37 0.12 2.32 6.09 0.79 0.14 117.51 126.45 2jws h ILE 49 Ca -0.01 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 63.21 2jws h ILE 49 Cb 0.60 0.87 0.01 0.00 0.47 0.00 0.00 36.82 38.77 2jws h ILE 49 CO 0.02 0.00 -1.22 0.25 -3.07 0.00 0.00 178.15 174.12 2jws h LEU 50 N 0.00 0.51 -2.41 2.19 5.85 -1.21 -3.17 115.31 117.07 2jws h LEU 50 Ca 0.05 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 58.27 2jws h LEU 50 Cb 0.36 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2jws h LEU 50 CO -0.00 1.39 0.04 0.74 -0.34 0.00 0.00 178.44 180.27 2jws h THR 51 N 0.11 0.53 -0.28 1.05 2.02 -0.36 0.32 112.91 116.29 2jws h THR 51 Ca -0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2jws h THR 51 Cb 1.93 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jws h THR 51 CO 0.21 0.00 0.00 2.22 0.37 0.00 0.00 175.52 178.32 2jws n PHE 52 N -3.85 0.85 -2.95 3.16 -1.74 -1.05 -4.18 117.46 107.70 2jws n PHE 52 Ca -0.02 -0.31 -0.13 0.00 -0.56 0.00 0.00 57.45 56.43 2jws n PHE 52 Cb 0.13 -0.23 0.03 0.00 1.52 0.00 0.00 39.48 40.93 2jws n PHE 52 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 2jws n THR 53 N 0.33 0.01 -3.72 1.97 5.66 0.10 -5.10 114.28 113.53 2jws n THR 53 Ca 0.12 -3.16 -0.13 0.00 -3.05 0.00 0.00 64.05 57.83 2jws n THR 53 Cb 0.60 0.52 -0.09 0.00 -1.55 0.00 0.00 70.33 69.81 2jws n THR 53 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2jws s VAL 54 N -1.38 0.01 0.00 1.08 0.11 -1.26 -5.01 120.40 113.97 2jws s VAL 54 Ca 0.31 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.24 2jws s VAL 54 Cb 0.34 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 2jws s VAL 54 CO -0.06 -0.06 0.97 0.74 -3.33 0.00 0.00 175.10 173.36 2jws h THR 55 N 4.25 0.00 -0.01 5.04 2.02 -1.97 -3.51 112.91 118.73 2jws h THR 55 Ca -0.28 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2jws h THR 55 Cb 1.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2jws h THR 55 CO 0.28 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.55